Vitas-M small molecule compound

N-({4-[3-(1H-indol-3-yl)propanoyl]piperazin-1-yl}carbonyl)-L-valine

Catalog ID
STK624357
SMILES CC([C@@H](C(=O)O)NC(=O)N1CCN(CC1)C(=O)CCc1c[nH]c2c1cccc2)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C21H28N4O4 MW 400.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N4O4/c1-14(2)19(20(27)28)23-21(29)25-11-9-24(10-12-25)18(26)8-7-15-13-22-17-6-4-3-5-16(15)17/h3-6,13-14,19,22H,7-12H2,1-2H3,(H,23,29)(H,27,28)/t19-/m0/s1
InChIKey
VTCPAVSQPNVJLB-IBGZPJMESA-N
Synonyms
1014103-99-1
(2S)2((4(3(1Hindol3yl)propanoyl)piperazine1carbonyl)amino)3methylbutanoicacid
(S)2(4(3(1Hindol3yl)propanoyl)piperazine1carboxamido)3methylbutanoicacid
1014103991
CC((C@@H)(C(=O)O)NC(=O)N1CCN(CC1)C(=O)CCc1c(nH)c2c1cccc2)C
CC(C)C(C(=O)O)NC(=O)N1CCN(CC1)C(=O)CCC2=CNC3=CC=CC=C32
InChI=1SC21H28N4O4c114(2)19(20(27)28)2321(29)2511924(101225)18(26)8715132217643516(15)17h3613141922H712H212H3(H2329)(H2728)t19m0s1
MFCD09858629
N((4(3(1Hindol3yl)propanoyl)piperazin1yl)carbonyl)Lvaline
ZINC000013734892
ZINC13734892

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.